2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide

C18H13ClN4O3S2 — CID 39043657

IUPAC2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)COc2ccccc2Cl)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C18H13ClN4O3S2/c1-10-15(17-22-16(23-26-17)13-7-4-8-27-13)28-18(20-10)21-14(24)9-25-12-6-3-2-5-11(12)19/h2-8H,9H2,1H3,(H,20,21,24)
InChIKeyFMYPFSSLNBXRMC-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.90
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide

2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 39043657) has the molecular formula C18H13ClN4O3S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID39043657
Molecular FormulaC18H13ClN4O3S2
Molecular Weight432.91 g/mol
Exact Mass432.01
IUPAC Name2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)COc2ccccc2Cl)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C18H13ClN4O3S2/c1-10-15(17-22-16(23-26-17)13-7-4-8-27-13)28-18(20-10)21-14(24)9-25-12-6-3-2-5-11(12)19/h2-8H,9H2,1H3,(H,20,21,24)
InChIKeyFMYPFSSLNBXRMC-UHFFFAOYSA-N
XLogP4.90
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39042306
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 39043081
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
(E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 45494342
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083307
5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
N-[4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 50754591
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744
2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867524

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 39043657) is 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)COc2ccccc2Cl)sc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FMYPFSSLNBXRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S2/c1-10-15(17-22-16(23-26-17)13-7-4-8-27-13)28-18(20-10)21-14(24)9-25-12-6-3-2-5-11(12)19/h2-8H,9H2,1H3,(H,20,21,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide?
2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 432.91 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39043657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).